#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:00:29 +0100 (vie 25 de mar de 2016) $
#$Revision: 180055 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/01/7050102.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7050102
loop_
_publ_author_name
'Argent, Stephen P.'
'Adams, Harry'
'Harding, Lindsay P.'
'Riis-Johannessen, T.'
'Jeffery, John C.'
'Ward, Michael D.'
_publ_section_title
;
 Homo- and heteropolynuclear helicates with a ‘2 + 3 +
 2’-dentate compartmental ligand
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              904
_journal_paper_doi               10.1039/b502423d
_journal_volume                  29
_journal_year                    2005
_chemical_formula_moiety         'C90 H76 Cu3 N22 O4, 2(C2 H3 N), 4(F6 P)'
_chemical_formula_sum            'C94 H82 Cu3 F24 N24 O4 P4'
_chemical_formula_weight         2382.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.856(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.397(3)
_cell_length_b                   15.0598(19)
_cell_length_c                   30.411(4)
_cell_measurement_reflns_used    5103
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      50.749
_cell_measurement_theta_min      4.453
_cell_volume                     10106(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker saint'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1498
_diffrn_reflns_av_sigmaI/netI    0.1557
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            56428
_diffrn_reflns_theta_full        27.67
_diffrn_reflns_theta_max         27.67
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.797
_exptl_absorpt_correction_T_max  0.9245
_exptl_absorpt_correction_T_min  0.7357
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4836
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.472
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     687
_refine_ls_number_reflns         11549
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1855
_refine_ls_R_factor_gt           0.0850
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1201P)²+25.9400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2079
_refine_ls_wR_factor_ref         0.2689
_reflns_number_gt                5528
_reflns_number_total             11549
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b502423d.txt
_cod_data_source_block           Cu222
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7050102
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.5000 0.83678(7) 0.7500 0.0257(3) Uani 1 2 d S . .
Cu2 Cu 0.38845(3) 0.67412(5) 0.47085(3) 0.0290(2) Uani 1 1 d . . .
N111 N 0.4370(2) 0.7386(4) 0.43104(17) 0.0326(12) Uani 1 1 d . . .
C112 C 0.4982(3) 0.7280(4) 0.4388(2) 0.0313(14) Uani 1 1 d . . .
C113 C 0.5339(3) 0.7584(5) 0.4098(2) 0.0474(19) Uani 1 1 d . . .
H113 H 0.5766 0.7514 0.4165 0.057 Uiso 1 1 calc R . .
C114 C 0.5077(4) 0.7989(6) 0.3711(3) 0.065(2) Uani 1 1 d . . .
H114 H 0.5322 0.8189 0.3505 0.077 Uiso 1 1 calc R . .
C115 C 0.4451(4) 0.8111(6) 0.3619(3) 0.060(2) Uani 1 1 d . . .
H115 H 0.4259 0.8394 0.3353 0.072 Uiso 1 1 calc R . .
C116 C 0.4124(3) 0.7806(4) 0.3928(2) 0.0384(16) Uani 1 1 d . . .
H116 H 0.3697 0.7893 0.3871 0.046 Uiso 1 1 calc R . .
N121 N 0.4854(2) 0.6367(3) 0.50138(17) 0.0276(11) Uani 1 1 d . . .
N122 N 0.5213(2) 0.6003(3) 0.53699(17) 0.0304(12) Uani 1 1 d . . .
C123 C 0.5797(3) 0.6250(4) 0.5387(2) 0.0350(15) Uani 1 1 d . . .
H123 H 0.6126 0.6087 0.5613 0.042 Uiso 1 1 calc R . .
C124 C 0.5831(3) 0.6766(4) 0.5029(2) 0.0338(15) Uani 1 1 d . . .
H124 H 0.6181 0.7035 0.4950 0.041 Uiso 1 1 calc R . .
C125 C 0.5233(3) 0.6816(4) 0.4801(2) 0.0311(14) Uani 1 1 d . . .
C131 C 0.4619(3) 0.5957(4) 0.5988(2) 0.0299(14) Uani 1 1 d . . .
C132 C 0.4293(3) 0.5484(4) 0.6258(2) 0.0374(16) Uani 1 1 d . . .
H132 H 0.4290 0.4854 0.6251 0.045 Uiso 1 1 calc R . .
C133 C 0.3971(3) 0.5940(5) 0.6539(2) 0.0373(16) Uani 1 1 d . . .
H133 H 0.3751 0.5616 0.6727 0.045 Uiso 1 1 calc R . .
C134 C 0.3966(3) 0.6859(4) 0.6548(2) 0.0286(14) Uani 1 1 d . . .
C135 C 0.4303(3) 0.7316(4) 0.62882(19) 0.0278(14) Uani 1 1 d . . .
H135 H 0.4312 0.7946 0.6301 0.033 Uiso 1 1 calc R . .
C136 C 0.4629(3) 0.6884(4) 0.6010(2) 0.0288(14) Uani 1 1 d . . .
H136 H 0.4860 0.7214 0.5832 0.035 Uiso 1 1 calc R . .
C137 C 0.4954(3) 0.5440(4) 0.5678(2) 0.0380(16) Uani 1 1 d . . .
H13A H 0.5283 0.5094 0.5859 0.046 Uiso 1 1 calc R . .
H13B H 0.4670 0.5014 0.5504 0.046 Uiso 1 1 calc R . .
C138 C 0.3576(3) 0.7310(4) 0.6844(2) 0.0340(15) Uani 1 1 d . . .
H13C H 0.3146 0.7173 0.6729 0.041 Uiso 1 1 calc R . .
H13D H 0.3677 0.7059 0.7149 0.041 Uiso 1 1 calc R . .
N141 N 0.4152(2) 0.8658(3) 0.70967(16) 0.0264(11) Uani 1 1 d . . .
N142 N 0.3653(2) 0.8265(3) 0.68691(17) 0.0296(12) Uani 1 1 d . . .
C143 C 0.3250(3) 0.8874(5) 0.6674(2) 0.0409(17) Uani 1 1 d . . .
H143 H 0.2867 0.8752 0.6495 0.049 Uiso 1 1 calc R . .
C144 C 0.3493(3) 0.9711(5) 0.6779(2) 0.0381(16) Uani 1 1 d . . .
H144 H 0.3319 1.0273 0.6692 0.046 Uiso 1 1 calc R . .
C145 C 0.4054(3) 0.9532(4) 0.70446(19) 0.0264(13) Uani 1 1 d . . .
N151 N 0.5000 0.9681(4) 0.7500 0.0230(15) Uani 1 2 d S . .
C152 C 0.4522(3) 1.0119(4) 0.7275(2) 0.0283(14) Uani 1 1 d . . .
C153 C 0.4505(3) 1.1041(4) 0.7278(2) 0.0344(15) Uani 1 1 d . . .
H153 H 0.4158 1.1351 0.7130 0.041 Uiso 1 1 calc R . .
C154 C 0.5000 1.1501(6) 0.7500 0.038(2) Uani 1 2 d S . .
H154 H 0.5000 1.2132 0.7500 0.045 Uiso 1 2 calc SR . .
N211 N 0.3381(2) 0.6128(3) 0.51008(17) 0.0322(12) Uani 1 1 d . . .
C212 C 0.3120(3) 0.6660(5) 0.5371(2) 0.0348(16) Uani 1 1 d . . .
C213 C 0.2775(3) 0.6317(5) 0.5667(2) 0.0429(17) Uani 1 1 d . . .
H213 H 0.2598 0.6704 0.5856 0.051 Uiso 1 1 calc R . .
C214 C 0.2686(3) 0.5407(5) 0.5686(2) 0.050(2) Uani 1 1 d . . .
H214 H 0.2453 0.5162 0.5890 0.060 Uiso 1 1 calc R . .
C215 C 0.2943(3) 0.4869(5) 0.5406(3) 0.0495(19) Uani 1 1 d . . .
H215 H 0.2886 0.4244 0.5411 0.059 Uiso 1 1 calc R . .
C216 C 0.3286(3) 0.5243(5) 0.5117(2) 0.0409(17) Uani 1 1 d . . .
H216 H 0.3460 0.4865 0.4923 0.049 Uiso 1 1 calc R . .
N221 N 0.3658(2) 0.7813(3) 0.50726(17) 0.0307(12) Uani 1 1 d . . .
N222 N 0.3661(3) 0.8720(4) 0.50588(19) 0.0393(14) Uani 1 1 d . . .
C223 C 0.3254(3) 0.9041(5) 0.5305(2) 0.0454(18) Uani 1 1 d . . .
H223 H 0.3175 0.9652 0.5349 0.054 Uiso 1 1 calc R . .
C224 C 0.2980(3) 0.8351(5) 0.5477(2) 0.0413(17) Uani 1 1 d . . .
H224 H 0.2679 0.8374 0.5663 0.050 Uiso 1 1 calc R . .
C225 C 0.3238(3) 0.7603(4) 0.5321(2) 0.0331(15) Uani 1 1 d . . .
C231 C 0.4669(3) 0.9270(5) 0.5357(2) 0.0384(16) Uani 1 1 d . . .
C232 C 0.5206(3) 0.8842(5) 0.5365(2) 0.0421(17) Uani 1 1 d . . .
H232 H 0.5281 0.8547 0.5104 0.051 Uiso 1 1 calc R . .
C233 C 0.5647(3) 0.8829(5) 0.5747(2) 0.0432(17) Uani 1 1 d . . .
H233 H 0.6021 0.8530 0.5745 0.052 Uiso 1 1 calc R . .
C234 C 0.5541(3) 0.9253(5) 0.6129(2) 0.0441(18) Uani 1 1 d . . .
C235 C 0.5007(3) 0.9709(5) 0.6118(3) 0.052(2) Uani 1 1 d . . .
H235 H 0.4934 1.0012 0.6378 0.062 Uiso 1 1 calc R . .
C236 C 0.4572(3) 0.9732(5) 0.5732(2) 0.0479(19) Uani 1 1 d . . .
H236 H 0.4210 1.0064 0.5726 0.057 Uiso 1 1 calc R . .
C237 C 0.4173(3) 0.9216(4) 0.4949(2) 0.0430(17) Uani 1 1 d . . .
H23A H 0.4042 0.9822 0.4849 0.052 Uiso 1 1 calc R . .
H23B H 0.4331 0.8917 0.4702 0.052 Uiso 1 1 calc R . .
C238 C 0.5993(3) 0.9203(5) 0.6559(2) 0.049(2) Uani 1 1 d . . .
H23C H 0.6395 0.9400 0.6504 0.058 Uiso 1 1 calc R . .
H23D H 0.5865 0.9608 0.6782 0.058 Uiso 1 1 calc R . .
N241 N 0.5600(2) 0.7987(4) 0.69477(16) 0.0317(12) Uani 1 1 d . . .
N242 N 0.6040(2) 0.8300(4) 0.67364(18) 0.0413(15) Uani 1 1 d . . .
C243 C 0.6437(3) 0.7659(7) 0.6682(2) 0.057(2) Uani 1 1 d . . .
H243 H 0.6781 0.7730 0.6540 0.068 Uiso 1 1 calc R . .
C244 C 0.6269(3) 0.6904(6) 0.6859(3) 0.050(2) Uani 1 1 d . . .
H244 H 0.6464 0.6342 0.6872 0.060 Uiso 1 1 calc R . .
C245 C 0.5742(3) 0.7130(4) 0.7022(2) 0.0330(15) Uani 1 1 d . . .
N251 N 0.5000 0.7048(5) 0.7500 0.0279(16) Uani 1 2 d S . .
C252 C 0.5364(3) 0.6598(4) 0.7271(2) 0.0372(16) Uani 1 1 d . . .
C253 C 0.5381(3) 0.5676(5) 0.7269(3) 0.049(2) Uani 1 1 d . . .
H253 H 0.5650 0.5368 0.7113 0.059 Uiso 1 1 calc R . .
C254 C 0.5000 0.5215(7) 0.7500 0.054(3) Uani 1 2 d S . .
H254 H 0.5000 0.4584 0.7500 0.064 Uiso 1 2 calc SR . .
O11 O 0.37982(19) 0.5758(3) 0.42810(14) 0.0347(10) Uani 1 1 d . . .
C13 C 0.3373(3) 0.5932(5) 0.3957(2) 0.0336(15) Uani 1 1 d . . .
O12 O 0.30444(18) 0.6597(3) 0.39485(15) 0.0357(11) Uani 1 1 d . . .
C14 C 0.3304(3) 0.5292(5) 0.3564(2) 0.050(2) Uani 1 1 d . . .
H14A H 0.3102 0.4750 0.3639 0.076 Uiso 1 1 calc R . .
H14B H 0.3706 0.5143 0.3498 0.076 Uiso 1 1 calc R . .
H14C H 0.3061 0.5572 0.3302 0.076 Uiso 1 1 calc R . .
C21 C 0.6902(7) 0.3188(9) 0.7910(5) 0.137(5) Uiso 1 1 d D . .
H21A H 0.6994 0.2572 0.7969 0.205 Uiso 0.69(19) 1 d PR A 1
H21B H 0.7221 0.3459 0.7784 0.205 Uiso 0.69(19) 1 d PR A 1
H21C H 0.6864 0.3482 0.8184 0.205 Uiso 0.69(19) 1 d PR A 1
H21D H 0.7180 0.3340 0.8176 0.205 Uiso 0.31(19) 1 d PR A 2
H21E H 0.6965 0.2581 0.7832 0.205 Uiso 0.31(19) 1 d PR A 2
H21F H 0.6968 0.3569 0.7670 0.205 Uiso 0.31(19) 1 d PR A 2
C22 C 0.6304(11) 0.3275(18) 0.7581(9) 0.088(5) Uiso 0.409(11) 1 d PDU B 1
C22' C 0.6262(8) 0.3304(12) 0.7999(7) 0.086(5) Uiso 0.591(11) 1 d PDU B 2
N23 N 0.5872(12) 0.342(2) 0.7338(10) 0.148(12) Uiso 0.409(11) 1 d PD B 1
N23' N 0.5767(7) 0.3352(10) 0.8000(6) 0.096(5) Uiso 0.591(11) 1 d PD B 2
P1 P 0.28406(10) 0.16505(18) 0.57823(9) 0.0668(7) Uani 1 1 d D . .
F11 F 0.3363(5) 0.1707(10) 0.6212(4) 0.077(3) Uiso 0.553(19) 1 d PDU C 1
F11' F 0.3441(5) 0.1376(11) 0.6109(5) 0.069(3) Uiso 0.447(19) 1 d PDU C 2
F12 F 0.2503(5) 0.1719(9) 0.6206(4) 0.085(3) Uiso 0.553(19) 1 d PDU C 1
F12' F 0.2368(7) 0.2040(12) 0.6029(7) 0.101(4) Uiso 0.447(19) 1 d PDU C 2
F13 F 0.2688(3) 0.0609(4) 0.5821(2) 0.103(2) Uani 1 1 d . C .
F14 F 0.2289(3) 0.1717(4) 0.5398(2) 0.112(2) Uani 1 1 d . C .
F15 F 0.3268(3) 0.1325(5) 0.5428(3) 0.126(2) Uani 1 1 d . C .
F16 F 0.3057(3) 0.2592(3) 0.5691(2) 0.103(2) Uani 1 1 d . C .
P2 P 0.27493(9) 0.92183(15) 0.28004(7) 0.0487(5) Uani 1 1 d . . .
F21 F 0.2850(3) 0.9366(5) 0.33185(17) 0.108(2) Uani 1 1 d . . .
F22 F 0.2652(2) 0.8187(3) 0.2877(2) 0.0864(18) Uani 1 1 d . . .
F23 F 0.2044(2) 0.9384(4) 0.2761(2) 0.0867(18) Uani 1 1 d . . .
F24 F 0.2647(2) 0.9056(4) 0.22779(16) 0.0808(16) Uani 1 1 d . . .
F25 F 0.2860(2) 1.0234(3) 0.27280(17) 0.0676(14) Uani 1 1 d . . .
F26 F 0.34536(19) 0.9056(3) 0.28274(17) 0.0718(14) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N151 Cu1 N251 180.000(4) . . ?
N151 Cu1 N141 78.12(14) . 2_656 ?
N251 Cu1 N141 101.88(14) . 2_656 ?
N151 Cu1 N141 78.12(14) . . ?
N251 Cu1 N141 101.88(14) . . ?
N141 Cu1 N141 156.2(3) 2_656 . ?
N151 Cu1 N241 103.88(14) . . ?
N251 Cu1 N241 76.12(13) . . ?
N141 Cu1 N241 84.28(18) 2_656 . ?
N141 Cu1 N241 101.45(18) . . ?
N151 Cu1 N241 103.88(13) . 2_656 ?
N251 Cu1 N241 76.12(13) . 2_656 ?
N141 Cu1 N241 101.45(18) 2_656 2_656 ?
N141 Cu1 N241 84.28(18) . 2_656 ?
N241 Cu1 N241 152.2(3) . 2_656 ?
O11 Cu2 N211 92.6(2) . . ?
O11 Cu2 N111 88.2(2) . . ?
N211 Cu2 N111 178.2(2) . . ?
O11 Cu2 N221 160.05(19) . . ?
N211 Cu2 N221 80.0(2) . . ?
N111 Cu2 N221 98.8(2) . . ?
O11 Cu2 N121 93.57(18) . . ?
N211 Cu2 N121 103.72(19) . . ?
N111 Cu2 N121 77.83(19) . . ?
N221 Cu2 N121 106.15(19) . . ?
C116 N111 C112 117.0(6) . . ?
C116 N111 Cu2 124.0(4) . . ?
C112 N111 Cu2 118.1(4) . . ?
N111 C112 C113 122.2(6) . . ?
N111 C112 C125 115.7(5) . . ?
C113 C112 C125 122.2(6) . . ?
C114 C113 C112 119.6(7) . . ?
C113 C114 C115 120.0(7) . . ?
C116 C115 C114 117.3(7) . . ?
N111 C116 C115 124.0(7) . . ?
C125 N121 N122 104.7(5) . . ?
C125 N121 Cu2 108.5(4) . . ?
N122 N121 Cu2 145.2(4) . . ?
N121 N122 C123 111.0(5) . . ?
N121 N122 C137 120.3(5) . . ?
C123 N122 C137 128.7(5) . . ?
C124 C123 N122 108.4(6) . . ?
C123 C124 C125 104.4(6) . . ?
N121 C125 C124 111.5(6) . . ?
N121 C125 C112 118.3(5) . . ?
C124 C125 C112 130.2(6) . . ?
C132 C131 C136 119.3(6) . . ?
C132 C131 C137 118.2(6) . . ?
C136 C131 C137 122.5(6) . . ?
C131 C132 C133 119.6(6) . . ?
C134 C133 C132 120.8(6) . . ?
C135 C134 C133 118.9(6) . . ?
C135 C134 C138 123.2(6) . . ?
C133 C134 C138 117.8(6) . . ?
C134 C135 C136 121.5(6) . . ?
C135 C136 C131 119.8(6) . . ?
N122 C137 C131 113.3(5) . . ?
N142 C138 C134 113.6(5) . . ?
C145 N141 N142 105.5(5) . . ?
C145 N141 Cu1 112.5(4) . . ?
N142 N141 Cu1 142.0(4) . . ?
N141 N142 C143 111.2(5) . . ?
N141 N142 C138 122.9(5) . . ?
C143 N142 C138 125.9(5) . . ?
N142 C143 C144 108.0(6) . . ?
C143 C144 C145 103.7(6) . . ?
N141 C145 C144 111.7(6) . . ?
N141 C145 C152 116.8(5) . . ?
C144 C145 C152 131.5(6) . . ?
C152 N151 C152 121.0(7) 2_656 . ?
C152 N151 Cu1 119.5(4) 2_656 . ?
C152 N151 Cu1 119.5(4) . . ?
N151 C152 C153 120.6(6) . . ?
N151 C152 C145 113.1(5) . . ?
C153 C152 C145 126.3(6) . . ?
C154 C153 C152 118.9(7) . . ?
C153 C154 C153 119.8(9) . 2_656 ?
C212 N211 C216 118.4(6) . . ?
C212 N211 Cu2 115.8(4) . . ?
C216 N211 Cu2 125.8(4) . . ?
N211 C212 C213 121.6(7) . . ?
N211 C212 C225 114.2(6) . . ?
C213 C212 C225 124.3(6) . . ?
C212 C213 C214 119.7(7) . . ?
C215 C214 C213 118.6(7) . . ?
C214 C215 C216 119.5(7) . . ?
N211 C216 C215 122.2(7) . . ?
C225 N221 N222 105.1(5) . . ?
C225 N221 Cu2 112.2(4) . . ?
N222 N221 Cu2 139.5(4) . . ?
C223 N222 N221 109.3(6) . . ?
C223 N222 C237 124.9(6) . . ?
N221 N222 C237 121.9(5) . . ?
C224 C223 N222 109.2(6) . . ?
C223 C224 C225 104.3(6) . . ?
N221 C225 C224 112.1(6) . . ?
N221 C225 C212 116.4(6) . . ?
C224 C225 C212 131.4(6) . . ?
C232 C231 C236 119.0(7) . . ?
C232 C231 C237 120.6(6) . . ?
C236 C231 C237 120.3(7) . . ?
C231 C232 C233 121.4(7) . . ?
C234 C233 C232 119.7(7) . . ?
C235 C234 C233 119.0(7) . . ?
C235 C234 C238 119.7(7) . . ?
C233 C234 C238 121.2(7) . . ?
C234 C235 C236 120.9(7) . . ?
C231 C236 C235 119.8(7) . . ?
N222 C237 C231 109.5(6) . . ?
N242 C238 C234 111.2(6) . . ?
C245 N241 N242 104.3(5) . . ?
C245 N241 Cu1 104.9(4) . . ?
N242 N241 Cu1 142.5(4) . . ?
C243 N242 N241 111.2(6) . . ?
C243 N242 C238 129.1(6) . . ?
N241 N242 C238 119.3(6) . . ?
C244 C243 N242 108.8(7) . . ?
C243 C244 C245 104.4(7) . . ?
N241 C245 C244 111.4(6) . . ?
N241 C245 C252 118.3(5) . . ?
C244 C245 C252 130.3(7) . . ?
C252 N251 C252 119.4(8) . 2_656 ?
C252 N251 Cu1 120.3(4) . . ?
C252 N251 Cu1 120.3(4) 2_656 . ?
N251 C252 C253 121.6(7) . . ?
N251 C252 C245 116.6(6) . . ?
C253 C252 C245 121.8(7) . . ?
C254 C253 C252 118.8(8) . . ?
C253 C254 C253 119.7(10) . 2_656 ?
C13 O11 Cu2 109.5(4) . . ?
O12 C13 O11 122.9(6) . . ?
O12 C13 C14 121.0(6) . . ?
O11 C13 C14 116.0(6) . . ?
C22' C21 C22 50.2(12) . . ?
N23 C22 C21 174(3) . . ?
N23' C22' C21 169(2) . . ?
F12' P1 F16 90.1(8) . . ?
F12' P1 F14 79.3(8) . . ?
F16 P1 F14 92.3(4) . . ?
F12' P1 F11' 112.3(12) . . ?
F16 P1 F11' 95.4(6) . . ?
F14 P1 F11' 166.0(8) . . ?
F12' P1 F11 92.9(11) . . ?
F16 P1 F11 83.6(5) . . ?
F14 P1 F11 171.2(7) . . ?
F11' P1 F11 22.7(5) . . ?
F12' P1 F12 27.6(7) . . ?
F16 P1 F12 107.0(6) . . ?
F14 P1 F12 100.2(6) . . ?
F11' P1 F12 88.8(9) . . ?
F11 P1 F12 73.7(8) . . ?
F12' P1 F13 99.5(8) . . ?
F16 P1 F13 170.3(4) . . ?
F14 P1 F13 88.1(4) . . ?
F11' P1 F13 82.5(6) . . ?
F11 P1 F13 97.3(5) . . ?
F12 P1 F13 82.4(5) . . ?
F12' P1 F15 168.4(9) . . ?
F16 P1 F15 85.3(4) . . ?
F14 P1 F15 90.2(4) . . ?
F11' P1 F15 78.8(7) . . ?
F11 P1 F15 97.2(6) . . ?
F12 P1 F15 163.3(7) . . ?
F13 P1 F15 85.0(4) . . ?
F21 P2 F25 90.2(3) . . ?
F21 P2 F23 91.3(3) . . ?
F25 P2 F23 90.9(3) . . ?
F21 P2 F26 90.0(3) . . ?
F25 P2 F26 88.7(3) . . ?
F23 P2 F26 178.6(3) . . ?
F21 P2 F24 179.3(4) . . ?
F25 P2 F24 90.5(3) . . ?
F23 P2 F24 88.7(3) . . ?
F26 P2 F24 90.0(3) . . ?
F21 P2 F22 89.5(4) . . ?
F25 P2 F22 178.8(3) . . ?
F23 P2 F22 90.3(3) . . ?
F26 P2 F22 90.1(3) . . ?
F24 P2 F22 89.8(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N151 1.978(7) . ?
Cu1 N251 1.987(7) . ?
Cu1 N141 2.123(5) 2_656 ?
Cu1 N141 2.123(5) . ?
Cu1 N241 2.394(5) . ?
Cu1 N241 2.394(5) 2_656 ?
Cu2 O11 1.958(4) . ?
Cu2 N211 2.002(5) . ?
Cu2 N111 2.011(5) . ?
Cu2 N221 2.068(5) . ?
Cu2 N121 2.282(5) . ?
N111 C116 1.355(8) . ?
N111 C112 1.360(8) . ?
C112 C113 1.367(9) . ?
C112 C125 1.464(9) . ?
C113 C114 1.364(10) . ?
C114 C115 1.396(11) . ?
C115 C116 1.365(10) . ?
N121 C125 1.336(8) . ?
N121 N122 1.349(7) . ?
N122 C123 1.352(8) . ?
N122 C137 1.455(8) . ?
C123 C124 1.351(9) . ?
C124 C125 1.400(9) . ?
C131 C132 1.386(9) . ?
C131 C136 1.398(8) . ?
C131 C137 1.516(8) . ?
C132 C133 1.390(9) . ?
C133 C134 1.384(9) . ?
C134 C135 1.369(8) . ?
C134 C138 1.516(8) . ?
C135 C136 1.373(8) . ?
C138 N142 1.450(8) . ?
N141 C145 1.339(8) . ?
N141 N142 1.347(6) . ?
N142 C143 1.351(8) . ?
C143 C144 1.389(10) . ?
C144 C145 1.399(8) . ?
C145 C152 1.457(8) . ?
N151 C152 1.341(7) 2_656 ?
N151 C152 1.341(7) . ?
C152 C153 1.389(9) . ?
C153 C154 1.381(8) . ?
C154 C153 1.381(8) 2_656 ?
N211 C212 1.351(8) . ?
N211 C216 1.351(8) . ?
C212 C213 1.383(9) . ?
C212 C225 1.458(9) . ?
C213 C214 1.388(10) . ?
C214 C215 1.372(11) . ?
C215 C216 1.382(9) . ?
N221 C225 1.341(8) . ?
N221 N222 1.368(7) . ?
N222 C223 1.364(9) . ?
N222 C237 1.454(8) . ?
C223 C224 1.358(10) . ?
C224 C225 1.386(9) . ?
C231 C232 1.362(10) . ?
C231 C236 1.385(9) . ?
C231 C237 1.519(9) . ?
C232 C233 1.390(10) . ?
C233 C234 1.383(10) . ?
C234 C235 1.374(11) . ?
C234 C238 1.513(10) . ?
C235 C236 1.391(10) . ?
C238 N242 1.460(9) . ?
N241 C245 1.339(8) . ?
N241 N242 1.349(7) . ?
N242 C243 1.342(9) . ?
C243 C244 1.341(11) . ?
C244 C245 1.400(9) . ?
C245 C252 1.465(9) . ?
N251 C252 1.344(8) . ?
N251 C252 1.344(8) 2_656 ?
C252 C253 1.389(9) . ?
C253 C254 1.381(9) . ?
C254 C253 1.381(9) 2_656 ?
O11 C13 1.276(7) . ?
C13 O12 1.240(7) . ?
C13 C14 1.521(9) . ?
C21 C22' 1.514(18) . ?
C21 C22 1.53(2) . ?
C22 N23 1.13(2) . ?
C22' N23' 1.112(18) . ?
P1 F12' 1.516(11) . ?
P1 F16 1.539(5) . ?
P1 F14 1.552(6) . ?
P1 F11' 1.584(10) . ?
P1 F11 1.600(9) . ?
P1 F12 1.606(9) . ?
P1 F13 1.615(6) . ?
P1 F15 1.634(7) . ?
P2 F21 1.569(5) . ?
P2 F25 1.571(5) . ?
P2 F23 1.583(5) . ?
P2 F26 1.584(5) . ?
P2 F24 1.585(5) . ?
P2 F22 1.591(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O11 Cu2 N111 C116 77.5(5) . . . . ?
N211 Cu2 N111 C116 -37(7) . . . . ?
N221 Cu2 N111 C116 -83.7(5) . . . . ?
N121 Cu2 N111 C116 171.6(6) . . . . ?
O11 Cu2 N111 C112 -91.5(5) . . . . ?
N211 Cu2 N111 C112 154(7) . . . . ?
N221 Cu2 N111 C112 107.3(5) . . . . ?
N121 Cu2 N111 C112 2.6(4) . . . . ?
C116 N111 C112 C113 0.5(10) . . . . ?
Cu2 N111 C112 C113 170.3(5) . . . . ?
C116 N111 C112 C125 -179.4(6) . . . . ?
Cu2 N111 C112 C125 -9.6(7) . . . . ?
N111 C112 C113 C114 -1.7(12) . . . . ?
C125 C112 C113 C114 178.2(7) . . . . ?
C112 C113 C114 C115 1.6(14) . . . . ?
C113 C114 C115 C116 -0.3(14) . . . . ?
C112 N111 C116 C115 0.9(10) . . . . ?
Cu2 N111 C116 C115 -168.3(6) . . . . ?
C114 C115 C116 N111 -0.9(12) . . . . ?
O11 Cu2 N121 C125 92.5(4) . . . . ?
N211 Cu2 N121 C125 -174.0(4) . . . . ?
N111 Cu2 N121 C125 5.1(4) . . . . ?
N221 Cu2 N121 C125 -90.6(4) . . . . ?
O11 Cu2 N121 N122 -105.5(7) . . . . ?
N211 Cu2 N121 N122 -12.0(7) . . . . ?
N111 Cu2 N121 N122 167.2(7) . . . . ?
N221 Cu2 N121 N122 71.4(7) . . . . ?
C125 N121 N122 C123 2.4(7) . . . . ?
Cu2 N121 N122 C123 -160.0(6) . . . . ?
C125 N121 N122 C137 -178.5(5) . . . . ?
Cu2 N121 N122 C137 19.0(10) . . . . ?
N121 N122 C123 C124 -1.8(7) . . . . ?
C137 N122 C123 C124 179.2(6) . . . . ?
N122 C123 C124 C125 0.4(7) . . . . ?
N122 N121 C125 C124 -2.1(7) . . . . ?
Cu2 N121 C125 C124 167.4(4) . . . . ?
N122 N121 C125 C112 178.7(5) . . . . ?
Cu2 N121 C125 C112 -11.8(7) . . . . ?
C123 C124 C125 N121 1.1(7) . . . . ?
C123 C124 C125 C112 -179.9(6) . . . . ?
N111 C112 C125 N121 14.8(8) . . . . ?
C113 C112 C125 N121 -165.0(6) . . . . ?
N111 C112 C125 C124 -164.2(6) . . . . ?
C113 C112 C125 C124 16.0(11) . . . . ?
C136 C131 C132 C133 1.3(10) . . . . ?
C137 C131 C132 C133 -178.6(6) . . . . ?
C131 C132 C133 C134 0.8(10) . . . . ?
C132 C133 C134 C135 -2.5(10) . . . . ?
C132 C133 C134 C138 176.6(6) . . . . ?
C133 C134 C135 C136 2.0(9) . . . . ?
C138 C134 C135 C136 -177.0(6) . . . . ?
C134 C135 C136 C131 0.1(9) . . . . ?
C132 C131 C136 C135 -1.8(9) . . . . ?
C137 C131 C136 C135 178.2(6) . . . . ?
N121 N122 C137 C131 -75.5(7) . . . . ?
C123 N122 C137 C131 103.4(7) . . . . ?
C132 C131 C137 N122 172.4(6) . . . . ?
C136 C131 C137 N122 -7.6(9) . . . . ?
C135 C134 C138 N142 -7.3(9) . . . . ?
C133 C134 C138 N142 173.6(5) . . . . ?
N151 Cu1 N141 C145 0.7(4) . . . . ?
N251 Cu1 N141 C145 -179.3(4) . . . . ?
N141 Cu1 N141 C145 0.7(4) 2_656 . . . ?
N241 Cu1 N141 C145 -101.2(4) . . . . ?
N241 Cu1 N141 C145 106.2(4) 2_656 . . . ?
N151 Cu1 N141 N142 -178.2(6) . . . . ?
N251 Cu1 N141 N142 1.8(6) . . . . ?
N141 Cu1 N141 N142 -178.2(6) 2_656 . . . ?
N241 Cu1 N141 N142 79.8(6) . . . . ?
N241 Cu1 N141 N142 -72.7(6) 2_656 . . . ?
C145 N141 N142 C143 0.5(6) . . . . ?
Cu1 N141 N142 C143 179.5(5) . . . . ?
C145 N141 N142 C138 -179.7(5) . . . . ?
Cu1 N141 N142 C138 -0.7(9) . . . . ?
C134 C138 N142 N141 -72.8(7) . . . . ?
C134 C138 N142 C143 107.0(7) . . . . ?
N141 N142 C143 C144 -0.3(7) . . . . ?
C138 N142 C143 C144 179.8(6) . . . . ?
N142 C143 C144 C145 0.0(7) . . . . ?
N142 N141 C145 C144 -0.5(7) . . . . ?
Cu1 N141 C145 C144 -179.8(4) . . . . ?
N142 N141 C145 C152 177.7(5) . . . . ?
Cu1 N141 C145 C152 -1.6(6) . . . . ?
C143 C144 C145 N141 0.3(7) . . . . ?
C143 C144 C145 C152 -177.6(6) . . . . ?
N251 Cu1 N151 C152 -35(100) . . . 2_656 ?
N141 Cu1 N151 C152 0.3(3) 2_656 . . 2_656 ?
N141 Cu1 N151 C152 -179.7(3) . . . 2_656 ?
N241 Cu1 N151 C152 -80.7(3) . . . 2_656 ?
N241 Cu1 N151 C152 99.3(3) 2_656 . . 2_656 ?
N251 Cu1 N151 C152 145(100) . . . . ?
N141 Cu1 N151 C152 -179.7(3) 2_656 . . . ?
N141 Cu1 N151 C152 0.3(3) . . . . ?
N241 Cu1 N151 C152 99.3(3) . . . . ?
N241 Cu1 N151 C152 -80.7(3) 2_656 . . . ?
C152 N151 C152 C153 -1.5(4) 2_656 . . . ?
Cu1 N151 C152 C153 178.5(4) . . . . ?
C152 N151 C152 C145 178.8(5) 2_656 . . . ?
Cu1 N151 C152 C145 -1.2(5) . . . . ?
N141 C145 C152 N151 1.8(7) . . . . ?
C144 C145 C152 N151 179.6(6) . . . . ?
N141 C145 C152 C153 -177.8(6) . . . . ?
C144 C145 C152 C153 0.0(10) . . . . ?
N151 C152 C153 C154 3.0(8) . . . . ?
C145 C152 C153 C154 -177.4(5) . . . . ?
C152 C153 C154 C153 -1.4(4) . . . 2_656 ?
O11 Cu2 N211 C212 -157.3(4) . . . . ?
N111 Cu2 N211 C212 -43(7) . . . . ?
N221 Cu2 N211 C212 4.1(4) . . . . ?
N121 Cu2 N211 C212 108.4(4) . . . . ?
O11 Cu2 N211 C216 22.9(5) . . . . ?
N111 Cu2 N211 C216 137(7) . . . . ?
N221 Cu2 N211 C216 -175.7(6) . . . . ?
N121 Cu2 N211 C216 -71.4(5) . . . . ?
C216 N211 C212 C213 1.5(9) . . . . ?
Cu2 N211 C212 C213 -178.3(5) . . . . ?
C216 N211 C212 C225 -178.6(5) . . . . ?
Cu2 N211 C212 C225 1.6(7) . . . . ?
N211 C212 C213 C214 -0.6(10) . . . . ?
C225 C212 C213 C214 179.5(6) . . . . ?
C212 C213 C214 C215 -0.6(11) . . . . ?
C213 C214 C215 C216 0.7(11) . . . . ?
C212 N211 C216 C215 -1.4(10) . . . . ?
Cu2 N211 C216 C215 178.4(5) . . . . ?
C214 C215 C216 N211 0.3(11) . . . . ?
O11 Cu2 N221 C225 60.0(8) . . . . ?
N211 Cu2 N221 C225 -9.5(4) . . . . ?
N111 Cu2 N221 C225 169.2(4) . . . . ?
N121 Cu2 N221 C225 -111.0(4) . . . . ?
O11 Cu2 N221 N222 -95.5(8) . . . . ?
N211 Cu2 N221 N222 -164.9(6) . . . . ?
N111 Cu2 N221 N222 13.8(6) . . . . ?
N121 Cu2 N221 N222 93.5(6) . . . . ?
C225 N221 N222 C223 1.2(7) . . . . ?
Cu2 N221 N222 C223 157.8(5) . . . . ?
C225 N221 N222 C237 159.8(6) . . . . ?
Cu2 N221 N222 C237 -43.6(9) . . . . ?
N221 N222 C223 C224 -0.6(8) . . . . ?
C237 N222 C223 C224 -158.4(6) . . . . ?
N222 C223 C224 C225 -0.3(8) . . . . ?
N222 N221 C225 C224 -1.5(7) . . . . ?
Cu2 N221 C225 C224 -165.3(4) . . . . ?
N222 N221 C225 C212 177.0(5) . . . . ?
Cu2 N221 C225 C212 13.2(7) . . . . ?
C223 C224 C225 N221 1.2(8) . . . . ?
C223 C224 C225 C212 -177.1(7) . . . . ?
N211 C212 C225 N221 -10.2(8) . . . . ?
C213 C212 C225 N221 169.7(6) . . . . ?
N211 C212 C225 C224 168.0(6) . . . . ?
C213 C212 C225 C224 -12.1(11) . . . . ?
C236 C231 C232 C233 2.8(10) . . . . ?
C237 C231 C232 C233 -175.2(6) . . . . ?
C231 C232 C233 C234 0.4(10) . . . . ?
C232 C233 C234 C235 -2.4(10) . . . . ?
C232 C233 C234 C238 175.9(6) . . . . ?
C233 C234 C235 C236 1.3(11) . . . . ?
C238 C234 C235 C236 -177.1(6) . . . . ?
C232 C231 C236 C235 -3.9(10) . . . . ?
C237 C231 C236 C235 174.1(6) . . . . ?
C234 C235 C236 C231 1.9(11) . . . . ?
C223 N222 C237 C231 75.4(8) . . . . ?
N221 N222 C237 C231 -79.8(7) . . . . ?
C232 C231 C237 N222 112.7(7) . . . . ?
C236 C231 C237 N222 -65.3(8) . . . . ?
C235 C234 C238 N242 111.9(8) . . . . ?
C233 C234 C238 N242 -66.4(8) . . . . ?
N151 Cu1 N241 C245 164.1(4) . . . . ?
N251 Cu1 N241 C245 -15.9(4) . . . . ?
N141 Cu1 N241 C245 87.8(4) 2_656 . . . ?
N141 Cu1 N241 C245 -115.5(4) . . . . ?
N241 Cu1 N241 C245 -15.9(4) 2_656 . . . ?
N151 Cu1 N241 N242 24.1(7) . . . . ?
N251 Cu1 N241 N242 -155.9(7) . . . . ?
N141 Cu1 N241 N242 -52.2(7) 2_656 . . . ?
N141 Cu1 N241 N242 104.5(7) . . . . ?
N241 Cu1 N241 N242 -155.9(7) 2_656 . . . ?
C245 N241 N242 C243 0.1(7) . . . . ?
Cu1 N241 N242 C243 140.3(6) . . . . ?
C245 N241 N242 C238 173.4(5) . . . . ?
Cu1 N241 N242 C238 -46.4(9) . . . . ?
C234 C238 N242 C243 94.8(8) . . . . ?
C234 C238 N242 N241 -77.1(7) . . . . ?
N241 N242 C243 C244 -0.3(8) . . . . ?
C238 N242 C243 C244 -172.8(6) . . . . ?
N242 C243 C244 C245 0.4(8) . . . . ?
N242 N241 C245 C244 0.1(7) . . . . ?
Cu1 N241 C245 C244 -156.1(5) . . . . ?
N242 N241 C245 C252 177.0(5) . . . . ?
Cu1 N241 C245 C252 20.8(6) . . . . ?
C243 C244 C245 N241 -0.3(8) . . . . ?
C243 C244 C245 C252 -176.7(7) . . . . ?
N151 Cu1 N251 C252 -36(100) . . . . ?
N141 Cu1 N251 C252 -71.9(3) 2_656 . . . ?
N141 Cu1 N251 C252 108.1(3) . . . . ?
N241 Cu1 N251 C252 9.1(3) . . . . ?
N241 Cu1 N251 C252 -170.9(3) 2_656 . . . ?
N151 Cu1 N251 C252 144(100) . . . 2_656 ?
N141 Cu1 N251 C252 108.1(3) 2_656 . . 2_656 ?
N141 Cu1 N251 C252 -71.9(3) . . . 2_656 ?
N241 Cu1 N251 C252 -170.9(3) . . . 2_656 ?
N241 Cu1 N251 C252 9.1(3) 2_656 . . 2_656 ?
C252 N251 C252 C253 -0.9(5) 2_656 . . . ?
Cu1 N251 C252 C253 179.1(5) . . . . ?
C252 N251 C252 C245 179.0(6) 2_656 . . . ?
Cu1 N251 C252 C245 -1.0(6) . . . . ?
N241 C245 C252 N251 -16.0(8) . . . . ?
C244 C245 C252 N251 160.1(6) . . . . ?
N241 C245 C252 C253 163.9(6) . . . . ?
C244 C245 C252 C253 -19.9(11) . . . . ?
N251 C252 C253 C254 1.9(9) . . . . ?
C245 C252 C253 C254 -178.1(5) . . . . ?
C252 C253 C254 C253 -0.9(4) . . . 2_656 ?
N211 Cu2 O11 C13 97.3(4) . . . . ?
N111 Cu2 O11 C13 -81.1(4) . . . . ?
N221 Cu2 O11 C13 29.9(8) . . . . ?
N121 Cu2 O11 C13 -158.8(4) . . . . ?
Cu2 O11 C13 O12 -5.6(7) . . . . ?
Cu2 O11 C13 C14 171.9(5) . . . . ?
C22' C21 C22 N23 92(30) . . . . ?
C22 C21 C22' N23' 16(11) . . . . ?
